UCSF

ZINC01061342

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 25 Yes

Popular Name: (4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylphenyl]methanone (4-chlorophenyl)-[4-(4-chlorophe…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.59 9.51 -11.02 0 3 0 51 391.275 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LUXN-1-B Autoinducer 1 Sensor Kinase/phosphatase LuxN (cluster #1 Of 1), Bacterial Bacteria 2600 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LUXN_VIBHA P0C5S6 Autoinducer 1 Sensor Kinase/phosphatase LuxN, Vibha 2600 0.31 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.